Bromide ion → HCID 23081919, compound

HRID 108553Notes

Reaction equation

HRID 108553 reaction equation
[Br-:46].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]3[n:23]([CH3:40])[c:24](=[O:39])[n:25]([CH3:38])[c:26](=[O:37])[c:27]3[n:28]2-[c:29]2[c:30]([CH:35]=[O:36])[cH:31][cH:32][cH:33][cH:34]2)[CH2:18][CH2:19]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:47][P+:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[K+:6].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH2:1]=[CH:35][c:30]1[c:29](-[n:28]2[c:20]([N:17]3[CH2:16][CH2:15][N:14]([C:12]([O:11][C:7]([CH3:8])([CH3:9])[CH3:10])=[O:13])[CH2:19][CH2:18]3)[n:21][c:22]3[n:23]([CH3:40])[c:24](=[O:39])[n:25]([CH3:38])[c:26](=[O:37])[c:27]32)[cH:34][cH:33][cH:32][cH:31]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 74506TriphenylmethylphosphoniumHCID 45749132-Methylpropan-2-olateHCID 23081908HCID 23081908, compound

Product 1

HCID 23081919HCID 23081919, compound

Sources & evidence

ORD record
ord-452879562b3d495f9c69eb13fcd49c96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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